4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

C16H19N3O2 — CID 106950271

IUPAC4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(C3Cc4ccccc4C3)no2)CCNCC1
InChIInChI=1S/C16H19N3O2/c20-16(5-7-17-8-6-16)15-18-14(19-21-15)13-9-11-3-1-2-4-12(11)10-13/h1-4,13,17,20H,5-10H2
InChIKeyUIVPRXKRSCLDGX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.52
Rot. Bonds2

About 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol

4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 106950271) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID106950271
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESOC1(c2nc(C3Cc4ccccc4C3)no2)CCNCC1
InChIInChI=1S/C16H19N3O2/c20-16(5-7-17-8-6-16)15-18-14(19-21-15)13-9-11-3-1-2-4-12(11)10-13/h1-4,13,17,20H,5-10H2
InChIKeyUIVPRXKRSCLDGX-UHFFFAOYSA-N
XLogP1.52
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 106950271) is 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is OC1(c2nc(C3Cc4ccccc4C3)no2)CCNCC1.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is UIVPRXKRSCLDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(5-7-17-8-6-16)15-18-14(19-21-15)13-9-11-3-1-2-4-12(11)10-13/h1-4,13,17,20H,5-10H2.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 285.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 106950271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).